ethyl 4-[3-[(3-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)amino]-2-(3-carbamimidoylphenyl)-3-oxidanylidene-propyl]benzoate

Systemtic Name: ethyl 4-[3-[(3-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)amino]-2-(3-carbamimidoylphenyl)-3-oxidanylidene-propyl]benzoate Openeye Name: ethyl 4-[3-[3-bromo-4-(pyrrolidine-1-carbonyl)anilino]-2-(3-carbamimidoylphenyl)-3-oxo-propyl]benzoate CAS Name: 4-[3-[3-bromo-4-[oxo(1-pyrrolidinyl)methyl]anilino]-2-(3-carbamimidoylphenyl)-3-oxopropyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-bromo-4-(pyrrolidine-1-carbonyl)anilino]-2-(3-carbamimidoylphenyl)-3-oxopropyl]benzoate Traditional Name: 4-[2-(3-amidinophenyl)-3-[3-bromo-4-(pyrrolidine-1-carbonyl)anilino]-3-keto-propyl]benzoic acid ethyl ester Formula: C30H31BrN4O4 MolecularWeight: 591.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC(C2=CC=CC(=C2)C(=N)N)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCC4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC(C2=CC=CC(=C2)C(=N)N)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCC4)Br

InChI

InChI=1S/C30H31BrN4O4/c1-2-39-30(38)20-10-8-19(9-11-20)16-25(21-6-5-7-22(17-21)27(32)33)28(36)34-23-12-13-24(26(31)18-23)29(37)35-14-3-4-15-35/h5-13,17-18,25H,2-4,14-16H2,1H3,(H3,32,33)(H,34,36)